HMDB0113249 RDKit 3D PE-NMe(18:3(9Z,12Z,15Z)/24:1(15Z)) 146145 0 0 0 0 0 0 0 0999 V2000 9.1463 3.1550 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 2.4334 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2179 2.1659 1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 0.9520 1.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2603 -0.2830 1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1863 -1.1336 1.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8997 -2.3580 2.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6363 -3.0431 1.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9108 -4.2939 1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5721 -5.4764 1.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8882 -5.7200 2.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4959 -6.3252 2.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6928 -5.3399 1.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 -5.8569 1.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 -4.8912 0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 -3.5367 1.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7479 -2.5522 0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6588 -2.8687 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9402 -3.5337 -0.7983 O 0 0 0 0 0 0 0 0 0 0 0 0 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88 1 0 21 89 1 0 22 90 1 0 23 91 1 0 23 92 1 0 27 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 32101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 49128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 57142 1 0 57143 1 0 58144 1 0 58145 1 0 58146 1 0 M END